1-bromo-2-(bromomethyl)naphthalene

• ChemBase ID: 91159
• Molecular Formular: C11H8Br2
• Molecular Mass: 299.98922
• Monoisotopic Mass: 297.89927426
• SMILES: Brc1c(ccc2ccccc12)CBr
• Canonical SMILES: BrCc1ccc2c(c1Br)cccc2
• InChI: InChI=1S/C11H8Br2/c12-7-9-6-5-8-3-1-2-4-10(8)11(9)13/h1-6H,7H2
• InChIKey: DQTOCXIHYIQHCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-2-(bromomethyl)naphthalene
• IUPAC Traditional name: 1-bromo-2-(bromomethyl)naphthalene
• Synonyms: 1-Bromo-2-(bromomethyl)naphthalene; 1-Bromo-2-(bromomethyl)naphthalene; 1-BROMO-2-BROMOMETHYL NAPHTHALENE; 1-溴-2-(溴甲基)萘

Database IDs

• CAS Number: 37763-43-2
• MDL Number: MFCD00046369
• Beilstein Number: 1943405
• PubChem SID: 162077863
• PubChem CID: 37828

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.5042124
• LogD (pH = 7.4): 4.5042124
• Log P: 4.5042124
• Molar Refractivity: 62.9814 cm^3
• Polarizability: 25.062702 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 105°C; 108°C

Safety Information

• Storage Warning: Irritant
• RTECS: QJ1550000
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: ≥96.0% (GC); 96.0-104.0% (with AgNO3 after O2 combustion); 98%
• Empirical Formula (Hill Notation): C11H8Br2

DETAILS

MP Biomedicals - 05221664

MP Biomedicals Rare Chemical collection